(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine

C8H18N2S — CID 45099614

IUPAC(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine
SMILESCSCC[C@H]1CNCCN1C
InChIInChI=1S/C8H18N2S/c1-10-5-4-9-7-8(10)3-6-11-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyWCZMCNGEBXPHIS-QMMMGPOBSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds3

About (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine

(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine (PubChem CID 45099614) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine
PubChem CID45099614
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine
SMILESCSCC[C@H]1CNCCN1C
InChIInChI=1S/C8H18N2S/c1-10-5-4-9-7-8(10)3-6-11-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyWCZMCNGEBXPHIS-QMMMGPOBSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The IUPAC name of (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine (CID 45099614) is (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine is CSCC[C@H]1CNCCN1C.
What is the InChIKey of (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The InChIKey is WCZMCNGEBXPHIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2S/c1-10-5-4-9-7-8(10)3-6-11-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine?
(2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 45099614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).